3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine

C16H27NO — CID 116759601

IUPAC3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine
SMILESCCOC(CC)(CC)C(N)Cc1ccc(C)cc1
InChIInChI=1S/C16H27NO/c1-5-16(6-2,18-7-3)15(17)12-14-10-8-13(4)9-11-14/h8-11,15H,5-7,12,17H2,1-4H3
InChIKeyNGQYAKAIJIIGQR-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.46
Rot. Bonds7

About 3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine

3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine (PubChem CID 116759601) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine
PubChem CID116759601
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine
SMILESCCOC(CC)(CC)C(N)Cc1ccc(C)cc1
InChIInChI=1S/C16H27NO/c1-5-16(6-2,18-7-3)15(17)12-14-10-8-13(4)9-11-14/h8-11,15H,5-7,12,17H2,1-4H3
InChIKeyNGQYAKAIJIIGQR-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-3-ethyl-1-phenylpentan-2-amine
CID 116759543
1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759724
1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759577
3-ethoxy-3-ethyl-1-(4-methylphenyl)-N-propylpentan-2-amine
CID 116760344
3-ethoxy-3-ethyl-1-pyridin-3-ylpentan-2-amine
CID 116759597
4-(2-amino-3-ethoxy-3-ethylpentyl)pyridin-2-amine
CID 116759749
1-(4-bromophenyl)-3-ethoxy-3-methylpentan-2-amine
CID 116758609
1,1-diethoxy-3-(4-methylphenyl)propan-2-amine
CID 79495466
1-(4-chlorophenyl)-3-ethoxy-3-methylbutan-2-amine
CID 116726294
3-ethoxy-N-ethyl-3-methyl-1-(4-methylphenyl)pentan-2-amine
CID 116759088
ethane;1-ethoxy-2-(4-methylphenyl)ethanol
CID 143660250
3-ethyl-3-methoxy-1-pyridin-4-ylpentan-2-amine
CID 116760495

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine?
The IUPAC name of 3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine (CID 116759601) is 3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine.
What is the SMILES notation for 3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine?
The canonical SMILES for 3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine is CCOC(CC)(CC)C(N)Cc1ccc(C)cc1.
What is the InChIKey of 3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine?
The InChIKey is NGQYAKAIJIIGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-16(6-2,18-7-3)15(17)12-14-10-8-13(4)9-11-14/h8-11,15H,5-7,12,17H2,1-4H3.
What are the key properties of 3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine?
3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine is sourced from PubChem (CID 116759601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).